4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile

C20H20BN5OS — CID 178050818

About 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile

4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile (PubChem CID 178050818) has the molecular formula C20H20BN5OS and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile
• PubChem CID: 178050818
• Molecular Formula: C20H20BN5OS
• Molecular Weight: 389.29 g/mol
• Exact Mass: 389.15
• IUPAC Name: 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile
• SMILES: COc1cc(-c2cn3cc(C4CCB(C#N)CC4)nc3s2)cn2cc(C)nc12
• InChI: InChI=1S/C20H20BN5OS/c1-13-8-25-9-15(7-17(27-2)19(25)23-13)18-11-26-10-16(24-20(26)28-18)14-3-5-21(12-22)6-4-14/h7-11,14H,3-6H2,1-2H3
• InChIKey: NCEUTJLWJGSYHT-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 67.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.29
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile?

The IUPAC name of 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile (CID 178050818) is 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile.

What is the SMILES notation for 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile?

The canonical SMILES for 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile is COc1cc(-c2cn3cc(C4CCB(C#N)CC4)nc3s2)cn2cc(C)nc12.

What is the InChIKey of 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile?

The InChIKey is NCEUTJLWJGSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BN5OS/c1-13-8-25-9-15(7-17(27-2)19(25)23-13)18-11-26-10-16(24-20(26)28-18)14-3-5-21(12-22)6-4-14/h7-11,14H,3-6H2,1-2H3.

What are the key properties of 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile?

4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile has a molecular weight of 389.29 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile is sourced from PubChem (CID 178050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).